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ACS Catalysis|October 26, 2023
Impact of the Warhead of Dipeptidyl Keto Michael Acceptors on the Inhibition Mechanism of Cysteine Protease Cathepsin LAdrián Fernández-de-la-Pradilla, Santiago Royo, Tanja Schirmeister, et al.Biochemistry|April 8, 2021
Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate AnalogSvetlana A Kholodar, Janet S Finer-Moore, Katarzyna Świderek, et al.Chemical Science|July 13, 2018
Minimization of dynamic effects in the evolution of dihydrofolate reductaseJ Javier Ruiz-Pernía, Enas Behiry, Louis Y P Luk, et al.The Journal of Physical Chemistry Letters|March 21, 2025
A Reflection on the Use of Molecular Simulation to Respond to SARS-CoV-2 Pandemic ThreatsLorenzo Casalino, Carlos A Ramos-Guzmán, Rommie E Amaro, et al.Chemical Science|June 7, 2021
Glycoside hydrolase stabilization of transition state charge: new directions for inhibitor designWeiwu Ren, Marco Farren-Dai, Natalia Sannikova, et al.Proteins|June 2, 2021
Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) bindingClauber Henrique Souza da Costa, Alberto M Dos Santos, Cláudio Nahum Alves, et al.Journal of the American Chemical Society|November 15, 2014
Protein isotope effects in dihydrofolate reductase from Geobacillus stearothermophilus show entropic-enthalpic compensatory effects on the rate constantLouis Y P Luk, J Javier Ruiz-Pernía, William M Dawson, et al.Journal of Chemical Information and Modeling|September 4, 2012
Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivativesNelson Alberto N de Alencar, Paulo Robson M Sousa, José Rogério A Silva, et al.Bioorganic & Medicinal Chemistry|March 6, 2026
Peptidyl keto vinyl amides as improved inhibitors of cathepsin LAdrián Fernández-de-la-Pradilla, Clara Quílez, Tadej Uršič, et al.Journal of the American Chemical Society|November 21, 2013
Increased dynamic effects in a catalytically compromised variant of Escherichia coli dihydrofolate reductaseJ Javier Ruiz-Pernia, Louis Y P Luk, Rafael García-Meseguer, et al.Pageof 13